Geometry & MOs

Info

ID:

120341

PubChem CID:

50723471

Reduced:

ClF2O4N5C31H40 (1)

Stoich.:

AB2C4D5E31F40 (1)

Weight, g/mol:

732.259374

ΔHf, kcal/mol:

-260.02

Dipole, Da:

3.79

IP(EA), eV:

 -8.94(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations